Information card for entry 2227431

Structure parameters

• Common name: Tagalsin S
• Chemical name: <i>ent</i>-5α,3,15-Dioxodolabr-4(18)-ene-16,18-diol
• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O=C1CC[C@H]2[C@@](C\1=C\O)(CC[C@@H]1[C@@]2(CC[C@@](C1)(C(=O)CO)C)C)C
• Title of publication: <i>ent</i>-5α,3,15-Dioxodolabr-4(18)-ene-16,18-diol
• Authors of publication: Fun, Hoong-Kun; Pakathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2897 - o2898
• a: 7.9633 ± 0.0003 Å
• b: 10.7166 ± 0.0004 Å
• c: 20.8338 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.95 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes